홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Acetic Acid → 3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]benzoic acid

HRID 90089
노트
인쇄 미리보기

반응식

HRID 90089 반응식
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][n:2]1[n:3][c:4]([CH3:40])[cH:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:16]#[C:17][c:18]2[cH:19][c:20]([C:24](=[O:25])[N:26]=[S:27](=[O:28])([CH3:29])[c:30]3[cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38][cH:39]3)[cH:21][n:22][cH:23]2)[cH:13][cH:14][cH:15]1.[CH3:43][C:44](=[O:45])[OH:46].[Na+:42].[OH-:41]>>[CH3:1][n:2]1[n:3][c:4]([CH3:40])[cH:5][c:6]1[C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:16]#[C:17][c:18]2[cH:19][c:20]([C:24](=[O:25])[N:26]=[S:27](=[O:28])([CH3:29])[c:30]3[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:37][cH:38][cH:39]3)[cH:21][n:22][cH:23]2)[cH:13][cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 57657956methyl 3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]benzoate

생성물 1

HCID 57657927
3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]benzoic acid

출처 및 근거

ORD 기록
ord-9eab225e00fe490aaf5f31e11c5a3514
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

반응 노트

불러오는 중…

이 페이지에서참가 물질출처 및 근거반응 노트